methyl 3,4,5-trimethoxy-2-[2-(phenylmethylsulfanyl)ethanoylamino]benzoate

Systemtic Name: methyl 3,4,5-trimethoxy-2-[2-(phenylmethylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 2-[(2-benzylsulfanylacetyl)amino]-3,4,5-trimethoxy-benzoate CAS Name: 3,4,5-trimethoxy-2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(2-benzylsulfanylacetyl)amino]-3,4,5-trimethoxybenzoate Traditional Name: 2-[[2-(benzylthio)acetyl]amino]-3,4,5-trimethoxy-benzoic acid methyl ester Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)OC)NC(=O)CSCC2=CC=CC=C2)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)OC)NC(=O)CSCC2=CC=CC=C2)OC)OC

InChI

InChI=1S/C20H23NO6S/c1-24-15-10-14(20(23)27-4)17(19(26-3)18(15)25-2)21-16(22)12-28-11-13-8-6-5-7-9-13/h5-10H,11-12H2,1-4H3,(H,21,22)